SCHEMBL9508032

SCHEMBL9508032

CC(CCC(C)C(=O)O)OC(=O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.43
CYP1A2 P05177 1/20 0.43
PRKCA P17252 1/20 0.39
BLM P54132 1/20 0.38
ACE2 Q9BYF1 1/20 0.36
LTA4H P09960 1/20 0.35
ELANE P08246 1/20 0.34
FOLH1 Q04609 2/20 0.31
NAALAD2 Q9Y3Q0 2/20 0.31
ENPEP Q07075 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
FAAH O00519 2/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9508727 0.82 PRKCA (0.40) PRKCAELANEFAAHCNR1CNR2
SCHEMBL3874319 0.80 GABRP (0.43) CYP1A2PRKCABLMFOLH1
SCHEMBL13073714 0.79 PRKCA (0.41) PRKCANPSR1FAAHCNR1CNR2
SCHEMBL25380720 0.79 PRKCA (0.46) PRKCA
SCHEMBL23198152 0.79 PRKCA (0.41) PRKCANPSR1FAAHCNR1CNR2
SCHEMBL25380718 0.79 PRKCA (0.46) PRKCA
SCHEMBL2934272 0.79 PRKCA (0.41) PRKCANPSR1FAAHCNR1CNR2
SCHEMBL6050131 0.78 PRKCA (0.40) PRKCAFAAH
SCHEMBL9509846 0.77 TSHR (0.48) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL9508682 0.75 GABRR1 (0.46) GABRR1CYP1A2BLMACE2LTA4H

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0388960-B1 OPTICALLY ACTIVE COMPOUNDS AND THEIR PREPARATION AND USE HITACHI, LTD. (JP) 1993-10-06 EP disclosed
US-5152919-A Stability, chemical resistance, high speed response, large spo ntaneous polarization, molecular orientation and wide temperat ure range HITACHI, LTD. (JP) 1992-10-06 US disclosed
EP-0388960-A1 Optically active compounds and their preparation and use HITACHI, LTD. (JP) 1990-09-26 EP disclosed